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Journal Articles

Micro-/macroscopic and density functional studies of the interactions between molybdenum trioxide and C60 molecule

Masato Nakaya, Takuya Kawai, Shinta Watanabe, Jun Onoe
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 054701 (2023)
https://doi.org/10.1063/5.0134207
Published: February 2023
View article titled, Micro-/macroscopic and density functional studies of the interactions between molybdenum trioxide and C<sub>60</sub> molecule
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Includes: Supplementary data
Journal Articles

Hierarchical equations of motion approach for accurate characterization of spin excitations in quantum impurity systems

Daochi Zhang, Lijun Zuo, Lyuzhou Ye, Zi-Hao Chen, Yao Wang, Rui-Xue Xu, Xiao Zheng, YiJing Yan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 014106 (2023)
https://doi.org/10.1063/5.0131739
Published: January 2023
View article titled, Hierarchical equations of motion approach for accurate characterization of spin excitations in quantum impurity systems
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Journal Articles

A dynamical model for Brownian molecular motors driven by inelastic electron tunneling

Federico D. Ribetto, Sebastián E. Deghi, Hernán L. Calvo, Raúl A. Bustos-Marún
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 164102 (2022)
https://doi.org/10.1063/5.0113504
Published: October 2022
View article titled, A dynamical model for Brownian molecular motors driven by inelastic electron tunneling
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Journal Articles

Two-dimensional tellurium superstructures on Au(111) surfaces

Umamahesh Thupakula, Priya Laha, Gertjan Lippertz, Koen Schouteden, Asteriona-Maria Netsou, Aleksandr Seliverstov, Herman Terryn, Lino M. C. Pereira, Chris Van Haesendonck
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 164703 (2022)
https://doi.org/10.1063/5.0104652
Published: October 2022
View article titled, Two-dimensional tellurium superstructures on Au(111) surfaces
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Includes: Supplementary data
Journal Articles

Anti-Kasha emissions of single molecules in a plasmonic nanocavity

Hiroshi Imada, Miyabi Imai-Imada, Xingmei Ouyang, Atsuya Muranaka, Yousoo Kim
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 104302 (2022)
https://doi.org/10.1063/5.0102087
Published: September 2022
View article titled, Anti-Kasha emissions of single molecules in a plasmonic nanocavity
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Journal Articles

Formation and structural characterization of two-dimensional wetting water layer on graphite (0001)

Takashi Yamada, Takenori Tawa, Natsumi Murase, Hiroyuki S. Kato
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 074702 (2022)
https://doi.org/10.1063/5.0097760
Published: August 2022
View article titled, Formation and structural characterization of two-dimensional wetting water layer on graphite (0001)
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Includes: Supplementary data
Journal Articles

Novel first-principles insights into graphene fluorination

Tahereh Malakoutikhah, S. Javad Hashemifar, Mojtaba Alaei
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 054706 (2022)
https://doi.org/10.1063/5.0091279
Published: August 2022
View article titled, Novel first-principles insights into graphene fluorination
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Includes: Supplementary data
Journal Articles

On-surface synthesis and characterization of nitrogen-doped covalent-organic frameworks on Ag(111) substrate

Yong Zhang, Jianchen Lu, Baijin Li, Weiben Chen, Wei Xiong, Zilin Ruan, Hui Zhang, Shijie Sun, Long Chen, Lei Gao, Jinming Cai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 031103 (2022)
https://doi.org/10.1063/5.0099995
Published: July 2022
View article titled, On-surface synthesis and characterization of nitrogen-doped covalent-organic frameworks on Ag(111) substrate
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Includes: Supplementary data
Journal Articles

Melamine self-assembly and dehydrogenation on Ag(111) studied by tip-enhanced Raman spectroscopy

Ping Zhang, Linjie Chen, Shaoxiang Sheng, Wenqi Hu, Huiru Liu, Chen Ma, Zijia Liu, Baojie Feng, Peng Cheng, Yiqi Zhang, Lan Chen, Jin Zhao, Kehui Wu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 204301 (2022)
https://doi.org/10.1063/5.0091353
Published: May 2022
View article titled, Melamine self-assembly and dehydrogenation on Ag(111) studied by tip-enhanced Raman spectroscopy
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Includes: Supplementary data
Journal Articles

Adsorption of molecular iodine on the Ag(111) surface: Phase transitions, silver reconstruction, and iodide growth

B. V. Andryushechkin, T. V. Pavlova
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 164702 (2022)
https://doi.org/10.1063/5.0089915
Published: April 2022
View article titled, Adsorption of molecular iodine on the Ag(111) surface: Phase transitions, silver reconstruction, and iodide growth
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Includes: Supplementary data
Journal Articles

Surface steps dominate the water formation on Pd(111) surfaces

Elisabeth M. Dietze, Lin Chen, Henrik Grönbeck
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 064701 (2022)
https://doi.org/10.1063/5.0078918
Published: February 2022
View article titled, Surface steps dominate the water formation on Pd(111) surfaces
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Includes: Supplementary data
Journal Articles

The role of H–H interactions and impurities on the structure and energetics of H/Pd(111)

K. Thürmer, N. C. Bartelt, J. A. Whaley, A. H. McDaniel, F. El Gabaly
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 044707 (2022)
https://doi.org/10.1063/5.0068291
Published: January 2022
View article titled, The role of H–H interactions and impurities on the structure and energetics of H/Pd(111)
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Includes: Supplementary data
Journal Articles

Polariton chemistry: Molecules in cavities and plasmonic media

Joel Yuen-Zhou, Wei Xiong, Timur Shegai
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 030401 (2022)
https://doi.org/10.1063/5.0080134
Published: January 2022
View article titled, Polariton chemistry: Molecules in cavities and plasmonic media
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Journal Articles

A combined first principles study of the structural, magnetic, and phonon properties of monolayer CrI3

Daniel Staros, Guoxiang Hu, Juha Tiihonen, Ravindra Nanguneri, Jaron Krogel, M. Chandler Bennett, Olle Heinonen, Panchapakesan Ganesh, Brenda Rubenstein
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 014707 (2022)
https://doi.org/10.1063/5.0074848
Published: January 2022
View article titled, A combined first principles study of the structural, magnetic, and phonon properties of monolayer CrI<sub>3</sub>
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Includes: Supplementary data
Journal Articles

Low-temperature nucleation and growth of Zn on Au(111) and thermal stability toward (surface) alloy formation

Konstantin M. Schüttler, Joachim Bansmann, Albert K. Engstfeld, R. Jürgen Behm
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 124704 (2021)
https://doi.org/10.1063/5.0054980
Published: September 2021
View article titled, Low-temperature nucleation and growth of Zn on Au(111) and thermal stability toward (surface) alloy formation
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Includes: Supplementary data
Journal Articles

Dissociation of water on atomic oxygen-covered Rh nanoclusters supported on graphene/Ru(0001)

Yi-Cheng Huang, Hung-Yu Yen, Liang-Wei Lan, D. Dutta, A. Rahmah, Yu-Ling Lai, Yao-Jane Hsu, Chien-Cheng Kuo, Jeng-Han Wang, Meng-Fan Luo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 074701 (2021)
https://doi.org/10.1063/5.0060529
Published: August 2021
View article titled, Dissociation of water on atomic oxygen-covered Rh nanoclusters supported on graphene/Ru(0001)
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Includes: Supplementary data
Journal Articles

Growth, phase transition, and island motion of Au on Ge(111)

J. A. Giacomo, C. H. Mullet, S. Chiang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 054701 (2021)
https://doi.org/10.1063/5.0048882
Published: August 2021
View article titled, Growth, phase transition, and island motion of Au on Ge(111)
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Includes: Supplementary data
Journal Articles

Formation of a Ti–Cu(111) single atom alloy: Structure and CO binding

Junjie Shi, Cameron J. Owen, Hio Tong Ngan, Siyu Qin, Vikram Mehar, Philippe Sautet, Jason F. Weaver
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 234703 (2021)
https://doi.org/10.1063/5.0050800
Published: June 2021
View article titled, Formation of a Ti–Cu(111) single atom alloy: Structure and CO binding
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Includes: Supplementary data
Journal Articles

Influence of an atomistic protrusion at the tip apex on enhancing molecular emission in tunnel junctions: A theoretical study

Jia-Zhe Zhu, Gong Chen, Talha Ijaz, Xiao-Guang Li, Zhen-Chao Dong
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 214706 (2021)
https://doi.org/10.1063/5.0048440
Published: June 2021
View article titled, Influence of an atomistic protrusion at the tip apex on enhancing molecular emission in tunnel junctions: A theoretical study
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Journal Articles

Binding and stability of MgO monomers on anatase TiO2(101)

Nassar Doudin, Greg Collinge, Rudradatt R. Persaud, Pradeep Kumar Gurunathan, Mal-Soon Lee, Vassiliki-Alexandra Glezakou, David A. Dixon, Roger Rousseau, Zdenek Dohnálek
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 204703 (2021)
https://doi.org/10.1063/5.0047521
Published: May 2021
View article titled, Binding and stability of MgO monomers on anatase TiO<sub>2</sub>(101)
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Includes: Supplementary data